IBS-ZINC05323106 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.6040 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1740 -2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -0.4220 -3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -1.8320 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.6110 -2.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -2.0000 -1.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3150 -4.0910 -2.2440 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7800 -4.8160 -1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -4.6800 -3.2660 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4590 -2.4580 -4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 -2.1620 -5.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -2.9830 -6.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -3.7900 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3930 -3.4240 -4.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -4.7660 -5.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -5.4660 -4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 -5.1800 -3.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -4.9530 -2.3060 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -6.4680 -5.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 -7.2640 -5.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.2520 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 0.1800 -3.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -2.5940 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 -1.4310 -6.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -3.0320 -7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -4.9820 -6.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 3 0 0 0 0 21 22 3 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END